SCHEMBL3246993

SCHEMBL3246993

COC(C(=O)OC([SiH3])(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(C)C)=C(OC)c1ccccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSD P07339 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 3/20 0.34
STAT3 P40763 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
NPC1 O15118 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
XBP1 P17861 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28460174 0.81 HPGD (0.34) HPGDALDH1A1CTSDL3MBTL1USP2
SCHEMBL1402251 0.74 CTSD (0.36) HPGDALDH1A1CTSDL3MBTL1RXFP1
SCHEMBL9134542 0.73 CTSD (0.53) HPGDALDH1A1CTSDRXFP1TSHR
SCHEMBL31022703 0.73 CTSD (0.53) HPGDALDH1A1CTSDRXFP1TSHR
SCHEMBL30664617 0.72 HPGD (0.47) HPGDALDH1A1CTSDL3MBTL1RAB9A
SCHEMBL29134239 0.68 HPGD (0.40) HPGDALDH1A1CTSDL3MBTL1RAB9A
SCHEMBL1402243 0.68 TDP1 (0.38) HPGDALDH1A1CTSDL3MBTL1RXFP1
SCHEMBL30578017 0.68 TDP1 (0.38) HPGDALDH1A1CTSDL3MBTL1RXFP1
SCHEMBL29365595 0.68 HTT (0.46) HPGDALDH1A1CTSDL3MBTL1POLB
SCHEMBL536157 0.68 HTT (0.46) HPGDALDH1A1CTSDL3MBTL1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280231-A1 WHITENING AGENT COMPRISING EQUOL OR ITS SACCHARIDE DERIVATIVE AS AN EFFECTIVE INGREDIENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2010-11-04 US disclosed
EP-2145615-A1 SKIN-LIGHTENING AGENT CONTAINING EQUOL COMPOUND AS ACTIVE INGREDIENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2010-01-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100280231-A1 WHITENING AGENT COMPRISING EQUOL OR ITS SACCHARIDE DERIVATIVE AS AN EFFECTIVE INGREDIENT ENO1, GALE, UGGT1 HPGD 628/4885ALDH1A1 258/4885CTSD 1217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.